4-((2-CL-5-Nitrobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-CL-5-NITROBENZYLIDENE)AMINO)-5-(3-METHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL|(E)-4-((2-chloro-5-nitrobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol|4-((2-Chloro-5-nitrobenzylidene)amino)-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5(4H)-thione|4-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-5-(3-methoxyphenyl)-1,2,4-triaz ole-3-thiol|4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione|4-{[(E)-(2-chloro-5-nitrophenyl)methylidene]amino}-5-(3-methoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione|643-769-3
| Molecular Formula | C16H12ClN5O3S |
|---|---|
| Molecular Weight | 389.03494 g/mol |
| LogP | 4.06009 |
| Topological Polar Surface Area | 98.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.03494 |
| Monoisotopic Mass | 389.03494 |
| Heavy Atoms | 26 |
| Complexity | 1060.0339 |
Chemical Identifiers
| CAS Number | 613249-38-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
4-((2-CL-5-Nitrobenzylidene)amino)-5-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613249-38-0), with molecular formula C16H12ClN5O3S and molecular weight 389.03494 g/mol. IUPAC: 4-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-3-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione.